SCHEMBL530190

SCHEMBL530190

Brc1cnccc1OCC1CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHUK O15111 3/20 0.41
IKBKB O14920 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
MELK Q14680 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
CNR2 P34972 1/20 0.38
RIPK1 Q13546 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
BUB1 O43683 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPA Q5VT25 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16102737 0.94 KDM4C (0.46) CHRNB4CHRNA3CHUKIKBKBCHRNB2
SCHEMBL16119894 0.92 SCN9A (0.41) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL16094215 0.89 PDE4D (0.41) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL16102686 0.88 SCN9A (0.36) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL16102685 0.88 SCN9A (0.36) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL15716810 0.88 CHRNB4 (0.43) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL16094368 0.86 CHUK (0.34) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL24456599 0.84 ROCK2 (0.44) CHRNB4CHRNA3MELKCHRNB2CHRNA4
SCHEMBL4069716 0.79 CHRNB4 (0.41) CHRNB4CHRNA3CHUKIKBKBGSK3A
SCHEMBL15784059 0.79 CHRNB4 (0.41) CHRNB4CHRNA3CHUKIKBKBGSK3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
US-10308659-B2 Pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-06-04 US disclosed
CN-105121436-B New pyridine derivate 豪夫迈·罗氏有限公司 2018-07-27 CN disclosed
EP-2978755-B1 NOVEL PYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-01-03 EP disclosed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
EP-2928867-B1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS HOFFMANN LA ROCHE (CH) 2017-08-09 EP disclosed
CN-104837818-B It can be used as the acid amides of pyridine 2 of CB2 activators 霍夫曼-拉罗奇有限公司 2017-07-14 CN disclosed
EP-2598481-B1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-31 EP disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014154612-A1 NOVEL PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-10-02 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014086805-A1 PYRIDINE-2-AMIDES USEFUL AS CB2 AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-05-29 US disclosed
EP-2598481-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS Bristol-Myers Squibb Company (US) 2013-06-05 EP disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed
WO-2012015723-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148453-A1 SULFONAMIDE COMPOUNDS USEFUL AS CYP17 INHIBITORS SULT1A1, SULT2A1, SULT1E1 CHRNB4 4077/4885CHRNA3 3421/4885CHUK 285/4885
US-10308659-B2 Pyridine derivatives NDUFS6, NDUFS4, NDUFS8 CHRNB4 1416/4885CHRNA3 1298/4885CHUK 1398/4885
US-20190248803-A1 NOVEL PYRIDINE DERIVATIVES NDUFS6, NDUFS4, NDUFV1 CHRNB4 841/4885CHRNA3 820/4885CHUK 1325/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.